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GPCR

Name5-hydroxytryptamine receptor 6
SpeciesHomo sapiens (Human)
GeneHTR6
Synonym5-HT6 receptor
5-hydroxytryptamine (serotonin) receptor 6, G protein-coupled
5-HT-6
serotonin receptor 6
ST-B17
[ Show all ]
DiseaseSchizophrenia
Obesity
Neurological disease
Neurodegenerative disease
Emesis
[ Show all ]
Length440
Amino acid sequenceMVPEPGPTANSTPAWGAGPPSAPGGSGWVAAALCVVIALTAAANSLLIALICTQPALRNTSNFFLVSLFTSDLMVGLVVMPPAMLNALYGRWVLARGLCLLWTAFDVMCCSASILNLCLISLDRYLLILSPLRYKLRMTPLRALALVLGAWSLAALASFLPLLLGWHELGHARPPVPGQCRLLASLPFVLVASGLTFFLPSGAICFTYCRILLAARKQAVQVASLTTGMASQASETLQVPRTPRPGVESADSRRLATKHSRKALKASLTLGILLGMFFVTWLPFFVANIVQAVCDCISPGLFDVLTWLGYCNSTMNPIIYPLFMRDFKRALGRFLPCPRCPRERQASLASPSLRTSHSGPRPGLSLQQVLPLPLPPDSDSDSDAGSGGSSGLRLTAQLLLPGEATQDPPLPTRAAAAVNFFNIDPAEPELRPHPLGIPTN
UniProtP50406
Protein Data BankN/A
GPCR-HGmod modelP50406
3D structure modelThis predicted structure model is from GPCR-EXP P50406.
BioLiPN/A
Therapeutic Target DatabaseT16691
ChEMBLCHEMBL3371
IUPHAR11
DrugBankBE0000945

Ligand

NameCHEMBL2159463
Molecular formulaC22H27FN2O3
IUPAC name2-ethoxy-N-[1-[2-(3-fluorophenoxy)ethyl]piperidin-4-yl]benzamide
Molecular weight386.467
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP3.9
SynonymsBDBM50393369
Inchi KeyAMFHRDQSGJPBOQ-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H27FN2O3/c1-2-27-21-9-4-3-8-20(21)22(26)24-18-10-12-25(13-11-18)14-15-28-19-7-5-6-17(23)16-19/h3-9,16,18H,2,10-15H2,1H3,(H,24,26)
PubChem CID71451456
ChEMBLCHEMBL2159463
IUPHARN/A
BindingDB50393369
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Experimental Data

ParameterValueReferenceDatabase source
Ki3785.0 nMPMID22926225BindingDB,ChEMBL

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